1.0.0
The highlights for this release are:
- A new logo 🤩
- Tools for site shape analysis
- The dashboard was split off to its own repo
What's Changed
- Add functions to perform site shape analysis by @AstyLavrinenko in #166
- Add mean squared displacement plot by @AstyLavrinenko in #195
- Add optional argument to gemdash, to specify trajectory location by @v1kko in #214
- Logo by @SCiarella in #219
- Allow custom lattice for density plot and
ShapeAnalyzer
by @stefsmeets in #225 - Add methods to calculate and apply offsets for shape analysis by @stefsmeets in #224
- Add function to display sites on shape plot by @stefsmeets in #232
Under the hood
- Speed up percolation test by @stefsmeets in #188
- Hide warning when loading a cif file through pymatgen by @stefsmeets in #223
Bug fixes
- Fix squared radius in shape_analysis by @AstyLavrinenko in #190
- Remove double mention by @AstyLavrinenko in #209
- Use kBoltzmann from scipy by @SCiarella in #207
- Fix mismatch with i variable in activation_energies by @AstyLavrinenko in #194
- Make sure filtering matching happens against a collection, not a string by @v1kko in #217
- Fix issues and tweak api for ShapeAnalyzer by @stefsmeets in #230
Maintanance
- Update CITATION.cff by @AstyLavrinenko in #210
- Add Simone to CITATION.cff by @SCiarella in #211
- Move dashboard to its own repo by @stefsmeets in #222
- Switch to bump-my-version by @stefsmeets in #229
- Use svg covbadge by @stefsmeets in #231
Full Changelog: 0.9.4...1.0.0